Transport properties of MoS2 nanoribbons: edge priority

Abstract

We report about results from density functional based calculations on structural, electronic and transport properties of one-dimensional MoS2 nanoribbons with different widths and passivation of their edges. The edge passivation influences the electronic and transport properties of the nanoribbons. This holds especially for nanoribbons with zigzag edges. Nearly independent from the passivation the armchair MoS2 nanoribbons are semiconductors and their band gaps exhibit an almost constant value of 0.42 eV. Our results illustrate clearly the edge priority on the electronic properties of MoS2 nanoribbons and indicate problems for doping of MoS2 nanoribbons.